3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine

C13H14F3N3O — CID 126743920

IUPAC3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine
SMILESCC(C)c1cc(N)n(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C13H14F3N3O/c1-8(2)11-7-12(17)19(18-11)9-3-5-10(6-4-9)20-13(14,15)16/h3-8H,17H2,1-2H3
InChIKeyCHOQCDAPRZIPON-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.48
Rot. Bonds3

About 3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine

3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine (PubChem CID 126743920) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine.

Molecular Properties

Compound Name3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine
PubChem CID126743920
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine
SMILESCC(C)c1cc(N)n(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C13H14F3N3O/c1-8(2)11-7-12(17)19(18-11)9-3-5-10(6-4-9)20-13(14,15)16/h3-8H,17H2,1-2H3
InChIKeyCHOQCDAPRZIPON-UHFFFAOYSA-N
XLogP3.48
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine?
The IUPAC name of 3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine (CID 126743920) is 3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine.
What is the SMILES notation for 3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine?
The canonical SMILES for 3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine is CC(C)c1cc(N)n(-c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine?
The InChIKey is CHOQCDAPRZIPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-8(2)11-7-12(17)19(18-11)9-3-5-10(6-4-9)20-13(14,15)16/h3-8H,17H2,1-2H3.
What are the key properties of 3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine?
3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine has a molecular weight of 285.27 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine is sourced from PubChem (CID 126743920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).